SCHEMBL21294791

SCHEMBL21294791

CN(C)[C@H]1CC(c2cc(F)cc(Cl)c2)=CC[C@@H]1NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ARNT P27540 2/20 0.33
EPAS1 Q99814 2/20 0.33
GRM4 Q14833 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21307026 0.86 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2ARNTEPAS1
SCHEMBL21294766 0.75 PIN1 (0.37)
SCHEMBL21296540 0.75 PIN1 (0.37)
SCHEMBL21296534 0.74 KMT2A (0.38)
SCHEMBL21294672 0.69 SCN9A (0.47) TAS1R3TAS1R1TAS1R2GRM4
SCHEMBL21294930 0.68 IRAK4 (0.39)
SCHEMBL21294822 0.68 AKT1 (0.38)
SCHEMBL21294804 0.67 LMNA (0.41)
SCHEMBL21311638 0.66 HTR1A (0.39) ARNTEPAS1
SCHEMBL21306631 0.64 KAT6A (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 TAS1R3 4539/4885TAS1R1 4544/4885TAS1R2 4594/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 TAS1R3 2400/4885TAS1R1 2865/4885TAS1R2 2199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.